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CHEBI:227282 - Salinipeptin D

ChEBI IDCHEBI:227282
ChEBI NameSalinipeptin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC97H152N24O25S
Net Charge0
Average Mass2086.493
Monoisotopic Mass2085.10812
SMILESC/C=C(\NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H]1CCCN1C(=O)/C(=C/C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)/C(=C/C)NC(=O)[C@H](C)N(C)C)[C@@H](C)O)C(C)C)[C@H](C)CC)C(=O)N[C@@H](C(=O)N[C@H]1CS/C=C\NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O)[C@H](C)CC
InChIInChI=1S/C97H152N24O25S/c1-21-51(12)75(94(143)113-67-47-147-42-39-100-91(140)73(49(8)9)114-85(134)64(43-48(6)7)111-88(67)137)116-83(132)59(23-3)106-87(136)66(46-122)105-72(126)45-101-82(131)62(35-37-70(98)124)110-93(142)76(52(13)22-2)117-92(141)74(50(10)11)115-86(135)65(44-58-31-27-26-28-32-58)112-84(133)63(36-38-71(99)125)109-80(129)54(15)102-78(127)53(14)104-95(144)77(57(18)123)118-90(139)69-34-30-41-121(69)96(145)60(24-4)107-79(128)55(16)103-89(138)68-33-29-40-120(68)97(146)61(25-5)108-81(130)56(17)119(19)20/h23-28,31-32,39,42,48-57,62-69,73-77,122-123H,21-22,29-30,33-38,40-41,43-47H2,1-20H3,(H2,98,124)(H2,99,125)(H,100,140)(H,101,131)(H,102,127)(H,103,138)(H,104,144)(H,105,126)(H,106,136)(H,107,128)(H,108,130)(H,109,129)(H,110,142)(H,111,137)(H,112,133)(H,113,143)(H,114,134)(H,115,135)(H,116,132)(H,117,141)(H,118,139)/b42-39-,59-23-,60-24-,61-25-/t51-,52-,53-,54-,55-,56+,57-,62-,63-,64+,65+,66+,67+,68-,69-,73+,74+,75-,76-,77+/m1/s1
InChIKeyASORNVAVRKWGNS-JJLOCILGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30753052)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Salinipeptin D (CHEBI:227282) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2R)-N-[(2S)-1-[(2S)-1-[(2R,3R)-1-[(2R)-1-[2-[(2S)-1,3-dihydroxy-1-[(Z)-1-hydroxy-1-[(2R,3R)-1-hydroxy-3-methyl-1-[[(2Z,6S,9S,12R)-5,8,11-trihydroxy-9-(2-methylpropyl)-6-propan-2-yl-1-thia-4,7,10-triazacyclotrideca-2,4,7,10-tetraen-12-yl]imino]pentan-2-yl]iminobut-2-en-2-yl]iminopropan-2-yl]imino-2-hydroxyethyl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[[(2R)-1-[(Z)-2-[[(2R)-2-[[[(2R)-1-[(Z)-2-[[(2S)-2-(dimethylamino)-1-hydroxypropylidene]amino]but-2-enoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]but-2-enoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxypropylidene]amino]pentanediimidic acid